N-butyl-N-methyl-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidine-4-carboxamide; ethanedioic acid

Systemtic Name: N-butyl-N-methyl-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidine-4-carboxamide; ethanedioic acid Openeye Name: N-butyl-N-methyl-1-[(E)-2-methyl-3-phenyl-allyl]piperidine-4-carboxamide; oxalic acid CAS Name: N-butyl-N-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidinecarboxamide; oxalic acid IUPAC Name: N-butyl-N-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide; oxalic acid Traditional Name: N-butyl-N-methyl-1-[(E)-2-methyl-3-phenyl-allyl]isonipecotamide; oxalic acid Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1CCN(CC1)CC(=CC2=CC=CC=C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN(C)C(=O)C1CCN(CC1)C/C(=C/C2=CC=CC=C2)/C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H32N2O.C2H2O4/c1-4-5-13-22(3)21(24)20-11-14-23(15-12-20)17-18(2)16-19-9-7-6-8-10-19;3-1(4)2(5)6/h6-10,16,20H,4-5,11-15,17H2,1-3H3;(H,3,4)(H,5,6)/b18-16+;